Geometry & MOs

Info

ID:

322612

PubChem CID:

126670649

Reduced:

O3N9C25H29 (1)

Stoich.:

A3B9C25D29 (1)

Weight, g/mol:

517.254986

ΔHf, kcal/mol:

55.48

Dipole, Da:

7.43

IP(EA), eV:

 -8.38(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[5-(hydroxymethyl)benzotriazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C4=C(C=C(C=C4)O)N=N3)OC

DOS

IR

Vibrations